Glycoside
GD000757
Name:
NoneFormula:
C18H20O3N5ClSSmiles:
O[C@H]1[C@H](O)[C@H](CCl)O[C@@H]1n1cnc2c(N[C@@H]3C[C@@H]4C[C@H]3C3SC34)ncnc21Aglycone:
C1=Nc2c(ncnc2NC2CC3CC2C2SC32)[N]1Sugarmoiety:
OC1OC(CCl)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 0.99 | Num_rotatable_bonds: | 4 |
| MolWt: | 409.9 | Num_heavy_atoms: | 27 |
| TPSA: | 105.32 | NumAromaticRings: | 2 |
Unique Aglycone
AD00805
Formula: C12H12N5S
Smiles:
C1=Nc2c(ncnc2NC2CC3CC2C2SC32)[N]1| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.58 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 2 |
| MolWt: | 258.33 | Num_heavy_atoms: | 18 |
| TPSA: | 64.27 | NumAromaticRings: | 1 |
